[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-phenyl] thiocyanate Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylphenyl] ester IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-phenyl] ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H14N2O4S2/c1-11-8-12(23-10-17)2-4-14(11)18-24(19,20)13-3-5-15-16(9-13)22-7-6-21-15/h2-5,8-9,18H,6-7H2,1H3